CID 586039

Methyl 6-methoxynicotinate

Structural Information

Molecular Formula
C8H9NO3
SMILES
COC1=NC=C(C=C1)C(=O)OC
InChI
InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-9-7)8(10)12-2/h3-5H,1-2H3
InChIKey
OVLDWZNVBDRZNN-UHFFFAOYSA-N
Compound name
methyl 6-methoxypyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

451
Patents

167.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.06552 132.8
[M+Na]+ 190.04746 145.4
[M+NH4]+ 185.09206 140.2
[M+K]+ 206.02140 140.3
[M-H]- 166.05096 133.4
[M+Na-2H]- 188.03291 139.3
[M]+ 167.05769 134.6
[M]- 167.05879 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe